3-(2-methylphenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(2-methylphenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-quinazolin-4-one Openeye Name: 2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanyl-3-(o-tolyl)quinazolin-4-one CAS Name: 3-(2-methylphenyl)-2-[[4-nitro-3-(trifluoromethyl)phenyl]thio]-4-quinazolinone IUPAC Name: 3-(2-methylphenyl)-2-[4-nitro-3-(trifluoromethyl)phenyl]sulfanylquinazolin-4-one Traditional Name: 2-[[4-nitro-3-(trifluoromethyl)phenyl]thio]-3-(o-tolyl)quinazolin-4-one Formula: C22H14F3N3O3S MolecularWeight: 457.42507

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C22H14F3N3O3S/c1-13-6-2-5-9-18(13)27-20(29)15-7-3-4-8-17(15)26-21(27)32-14-10-11-19(28(30)31)16(12-14)22(23,24)25/h2-12H,1H3